1,8,15-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-2,4,6,10,12,14,16-heptaen-9-one

C14H9N3O — CID 155808210

IUPAC1,8,15-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-2,4,6,10,12,14,16-heptaen-9-one
SMILESO=c1[nH]c2ccccc2n2cc3ncccc3c12
InChIInChI=1S/C14H9N3O/c18-14-13-9-4-3-7-15-11(9)8-17(13)12-6-2-1-5-10(12)16-14/h1-8H,(H,16,18)
InChIKeyFWKAZVMBFVSXAZ-UHFFFAOYSA-N
MW235.25 g/mol
LogP2.33
Rot. Bonds

About 1,8,15-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-2,4,6,10,12,14,16-heptaen-9-one

1,8,15-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-2,4,6,10,12,14,16-heptaen-9-one (PubChem CID 155808210) has the molecular formula C14H9N3O and a molecular weight of 235.25 g/mol. Its IUPAC name is 1,8,15-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-2,4,6,10,12,14,16-heptaen-9-one.

Molecular Properties

Compound Name1,8,15-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-2,4,6,10,12,14,16-heptaen-9-one
PubChem CID155808210
Molecular FormulaC14H9N3O
Molecular Weight235.25 g/mol
Exact Mass235.07
IUPAC Name1,8,15-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-2,4,6,10,12,14,16-heptaen-9-one
SMILESO=c1[nH]c2ccccc2n2cc3ncccc3c12
InChIInChI=1S/C14H9N3O/c18-14-13-9-4-3-7-15-11(9)8-17(13)12-6-2-1-5-10(12)16-14/h1-8H,(H,16,18)
InChIKeyFWKAZVMBFVSXAZ-UHFFFAOYSA-N
XLogP2.33
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.25
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,8,15-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-2,4,6,10,12,14,16-heptaen-9-one?
The IUPAC name of 1,8,15-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-2,4,6,10,12,14,16-heptaen-9-one (CID 155808210) is 1,8,15-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-2,4,6,10,12,14,16-heptaen-9-one.
What is the SMILES notation for 1,8,15-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-2,4,6,10,12,14,16-heptaen-9-one?
The canonical SMILES for 1,8,15-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-2,4,6,10,12,14,16-heptaen-9-one is O=c1[nH]c2ccccc2n2cc3ncccc3c12.
What is the InChIKey of 1,8,15-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-2,4,6,10,12,14,16-heptaen-9-one?
The InChIKey is FWKAZVMBFVSXAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9N3O/c18-14-13-9-4-3-7-15-11(9)8-17(13)12-6-2-1-5-10(12)16-14/h1-8H,(H,16,18).
What are the key properties of 1,8,15-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-2,4,6,10,12,14,16-heptaen-9-one?
1,8,15-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-2,4,6,10,12,14,16-heptaen-9-one has a molecular weight of 235.25 g/mol, XLogP of 2.33, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,8,15-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-2,4,6,10,12,14,16-heptaen-9-one is sourced from PubChem (CID 155808210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).